Home Other Building Blocks 23082-12-4
23082-12-4,MFCD00191414
Catalog No.:AA003IG2
23082-12-4 | 3,4-Dimethylhippuric acid
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1g
1 week  
$449.00   $314.00
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5g
1 week  
$1,538.00   $1,077.00
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10g
1 week  
$2,945.00   $2,062.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IG2
Chemical Name:
3,4-Dimethylhippuric acid
CAS Number:
23082-12-4
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00191414
IUPAC Name:
2-[(3,4-dimethylbenzoyl)amino]acetic acid
InChI:
InChI=1S/C11H13NO3/c1-7-3-4-9(5-8(7)2)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChI Key:
ZDHXVMSVUHHHAE-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccc(c(c1)C)C
Properties
Computed Properties
 
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
3,4-dimethylhippuric acid 
3,4-Dimethylhippuric acid 
3,4-DIMETHYLHIPPURICACID 
AC1Q2DSW 
ACMC-1CN9J 
AC1L48EO 
AC1Q2LS9 
Oprea1_457141 
SCHEMBL7824602 
CTK4F0854 
DTXSID10177656 
HMS1408K17 
23082-12-4 
ZINC1465750 
ANW-25041 
Glycine, N-(3,4-dimethylbenzoyl)- 
MFCD00191414 
AKOS000199417 
MCULE-4573253453 
NE37843 
IDI1_007752 
KS-000014A9 
[(3,4-dimethylbenzoyl)amino]acetic acid 
2-(3,4-Dimethylbenzamido)acetic acid 
NCGC00329216-01 
TC-113786 
D2241 
EN300-04701 
AB01322487-02 
SR-01000039429 
SR-01000039429-1 
Z56884346 
C11-H13-N-O3 
CID152464 
2-[(3,4-dimethylphenyl)formamido]acetic acid 
N-(3,4-Dimethylbenzoyl)glycine 
Glycine,N-(3,4-dimethylbenzoyl)- 
(3,4-Dimethyl-benzoylamino)-acetic acid 
2-[(3,4-dimethylbenzoyl)amino]acetic acid 
Enamine_005165 
Literature
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